2-Bromostyrene - ≥95%, contains 0.1% 4-tert-butylcatechol as stabilizator , CAS No.2039-88-5

CAS: 2039-88-5 Cat. No.: B140775 Fórmula: C₈H₇Br Peso molecular: 183.05 Beilstein Registry Number: 2323537 Número CE: 218-027-3

GRADE & PURITY ≥95%, contains 0.1% 4-tert-butylcatechol as stabilizator

Synonyms

Bromstyrol | F12180 | InChI=1/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H | o -Bromovinylbenzene | 2-Bromostyrene | B2355 | NCGC00164055-01 | Q27272268 | 2-Bromostyrene (Stabilised with TBC) | A814531 | EC 603-094-7 | EINECS 218-027-3 | MFCD00000076 | o-Bromovin

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Bromstyrol | F12180 | InChI=1/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H | o -Bromovinylbenzene | 2-Bromostyrene | B2355 | NCGC00164055-01 | Q27272268 | 2-Bromostyrene (Stabilised with TBC) | A814531 | EC 603-094-7 | EINECS 218-027-3 | MFCD00000076 | o-Bromovin

Especificações e pureza

≥95%, contains 0.1% 4-tert-butylcatechol as stabilizator

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 528757240
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/528757240
• Sorrisos canónicos: C=CC1=CC=CC=C1Br
• IUPAC Name: 1-bromo-2-ethenylbenzene
• InChIKey: SSZOCHFYWWVSAI-UHFFFAOYSA-N
• INCHI: 1S/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
• SMILES isoméricas: C=CC1=CC=CC=C1Br
• WGK Alemanha: 3
• Peso molecular: 183.05
• Beilstein: 2323537
• Reaxy-Rn: 2323537
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2323537&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in Methanol
• Sensibilidade: Heat Sensitive
• Índice de refração: 1.592
• Ponto de inflamação (°F): 85°C
• Ponto de inflamação (°C): 85°C
• Ponto de ebulição (°C): 102-104°C
• Ponto de fusão (°C): -53°C
• Peso molecular: 183.040 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 181.973 Da
• Monoisotopic Mass: 181.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 98.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referências

1. Guangjun Ji, Cunyao Li, Dong Xiao, Guoqing Wang, Zhao Sun, Miao Jiang, Guangjin Hou, Li Yan, Yunjie Ding.  (2021)  The effect of the position of cross-linkers on the structure and microenvironment of PPh3 moiety in porous organic polymers.  Journal of Materials Chemistry A,  9  (14): (9165-9174).  [PMID:] [10.1039/D0TA12316A]